2-(2-amino-4,6-difluorophenyl)acetic acid

C8H7F2NO2 — CID 121232026

IUPAC2-(2-amino-4,6-difluorophenyl)acetic acid
SMILESNc1cc(F)cc(F)c1CC(=O)O
InChIInChI=1S/C8H7F2NO2/c9-4-1-6(10)5(3-8(12)13)7(11)2-4/h1-2H,3,11H2,(H,12,13)
InChIKeyOAWOOGBISRAMJC-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.17
Rot. Bonds2

About 2-(2-amino-4,6-difluorophenyl)acetic acid

2-(2-amino-4,6-difluorophenyl)acetic acid (PubChem CID 121232026) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is 2-(2-amino-4,6-difluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-4,6-difluorophenyl)acetic acid
PubChem CID121232026
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name2-(2-amino-4,6-difluorophenyl)acetic acid
SMILESNc1cc(F)cc(F)c1CC(=O)O
InChIInChI=1S/C8H7F2NO2/c9-4-1-6(10)5(3-8(12)13)7(11)2-4/h1-2H,3,11H2,(H,12,13)
InChIKeyOAWOOGBISRAMJC-UHFFFAOYSA-N
XLogP1.17
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

CID 6330703
CID 6330703
2-(3-amino-2,6-difluorophenyl)acetic acid
CID 18405488
2-(2,6-diamino-4-bromophenyl)acetic acid
CID 171014717
2-(2-amino-4-bromo-5-fluorophenyl)acetic acid
CID 131517676
2-(4-amino-2-fluoro-5-methylphenyl)acetic acid
CID 91755180
2-(3-amino-2-cyano-5-fluorophenyl)acetic acid
CID 171010790
2-[6-amino-2,3-bis(carboxymethyl)-4-hydroxyphenyl]acetic acid
CID 22734851
2-(3-amino-4-bromo-5-fluorophenyl)acetic acid
CID 131517658
2-(4-amino-5-fluoro-2-methylphenyl)acetic acid
CID 91755197
(2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid
CID 10846511
2-(2-amino-4-chloro-5-fluorophenyl)acetic acid
CID 19763734
3-[[2-(2,4,6-trifluorophenyl)acetyl]amino]propanoic acid
CID 110487520

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,6-difluorophenyl)acetic acid?
The IUPAC name of 2-(2-amino-4,6-difluorophenyl)acetic acid (CID 121232026) is 2-(2-amino-4,6-difluorophenyl)acetic acid.
What is the SMILES notation for 2-(2-amino-4,6-difluorophenyl)acetic acid?
The canonical SMILES for 2-(2-amino-4,6-difluorophenyl)acetic acid is Nc1cc(F)cc(F)c1CC(=O)O.
What is the InChIKey of 2-(2-amino-4,6-difluorophenyl)acetic acid?
The InChIKey is OAWOOGBISRAMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c9-4-1-6(10)5(3-8(12)13)7(11)2-4/h1-2H,3,11H2,(H,12,13).
What are the key properties of 2-(2-amino-4,6-difluorophenyl)acetic acid?
2-(2-amino-4,6-difluorophenyl)acetic acid has a molecular weight of 187.15 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,6-difluorophenyl)acetic acid is sourced from PubChem (CID 121232026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).